(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide

C24H25N3O3 — CID 9213620

IUPAC(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
SMILESCCc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-17-11-13-19(14-12-17)26-23(28)16-22(27-24(25)29)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-15,22H,2,16H2,1H3,(H,26,28)(H3,25,27,29)/t22-/m1/s1
InChIKeyPXPHSAZRDWQADV-JOCHJYFZSA-N
MW403.48 g/mol
LogP4.78
Rot. Bonds8

About (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide

(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 9213620) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID9213620
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
SMILESCCc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-17-11-13-19(14-12-17)26-23(28)16-22(27-24(25)29)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-15,22H,2,16H2,1H3,(H,26,28)(H3,25,27,29)/t22-/m1/s1
InChIKeyPXPHSAZRDWQADV-JOCHJYFZSA-N
XLogP4.78
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
(3S)-3-(carbamoylamino)-N-(3-methylsulfanylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9402974
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
3-(carbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-phenoxyphenyl)propanamide
CID 4797821
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
CID 34192223
3-(carbamoylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-phenoxyphenyl)propanamide
CID 85484955
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide (CID 9213620) is (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide is CCc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is PXPHSAZRDWQADV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-17-11-13-19(14-12-17)26-23(28)16-22(27-24(25)29)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-15,22H,2,16H2,1H3,(H,26,28)(H3,25,27,29)/t22-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide?
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 9213620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).